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2671-42-3 | Ethanone,1-[1,4,5,6-tetrahydro-1-[2-(1H-indol-3-yl)ethyl]-3-pyridinyl]-
CAS No: 2671-42-3 Catalog No: AG007KT7 MDL No:
Product Description
Catalog Number:
AG007KT7
Chemical Name:
Ethanone,1-[1,4,5,6-tetrahydro-1-[2-(1H-indol-3-yl)ethyl]-3-pyridinyl]-
CAS Number:
2671-42-3
Molecular Formula:
C17H20N2O
Molecular Weight:
268.3535
IUPAC Name:
1-[1-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyridin-5-yl]ethanone
InChI:
InChI=1S/C17H20N2O/c1-13(20)15-5-4-9-19(12-15)10-8-14-11-18-17-7-3-2-6-16(14)17/h2-3,6-7,11-12,18H,4-5,8-10H2,1H3
InChI Key:
UPAIGZTXMAQQHB-UHFFFAOYSA-N
SMILES:
CC(=O)C1=CN(CCC1)CCc1c[nH]c2c1cccc2
NSC Number:
149769
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.158g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.36g/mol
Monoisotopic Mass:
268.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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